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(Q105230839)
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octacosyl triacontanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
844.897532952
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₈H₁₁₆O₂
0 references
canonical SMILES
O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
0 references
found in taxon
Solanum torvum
1 reference
stated in
Non-alkaloidal constituents from Solanum torvum leaves
Identifiers
InChI
InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3
0 references
InChIKey
QYVJNQWOLBGEOX-UHFFFAOYSA-N
0 references
CAS Registry Number
87538-97-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
129837278
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QYVJNQWOLBGEOX-UHFFFAOYSA-N
ChEBI ID
184355
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3
UniChem compound ID
32019873
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701312940
1 reference
matched by identifier from
InChIKey
InChIKey
QYVJNQWOLBGEOX-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0032790
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QYVJNQWOLBGEOX-UHFFFAOYSA-N
KNApSAcK ID
C00057623
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QYVJNQWOLBGEOX-UHFFFAOYSA-N
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